CAS 3602-55-9|2-tert-Butyl-1,4-benzoquinone

Introduction：Basic information about CAS 3602-55-9|2-tert-Butyl-1,4-benzoquinone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 2-tert-Butyl-1,4-benzoquinone BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Articles22
8. Synonyms

Common Name	2-tert-Butyl-1,4-benzoquinone
CAS Number	3602-55-9	Molecular Weight	164.20100
Density	1.092 g/cm3	Boiling Point	227.8ºC at 760 mmHg
Molecular Formula	C₁₀H₁₂O₂	Melting Point	54-58 °C(lit.)
MSDS	ChineseUSA	Flash Point	82.6ºC
Symbol	GHS07	Signal Word	Warning

Names

Name	2-tert-Butyl-1,4-benzoquinone
Synonym	More Synonyms

2-tert-Butyl-1,4-benzoquinone BiologicalActivity

Description	2-tert-Butyl-1,4-benzoquinone is an electrophilic metabolite of butylated hydroxyanisole and an oxidation product of 2-tert-butylhydroquinone[1].
Related Catalog	Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>Cancer

Chemical & Physical Properties

Density	1.092 g/cm3
Boiling Point	227.8ºC at 760 mmHg
Melting Point	54-58 °C(lit.)
Molecular Formula	C₁₀H₁₂O₂
Molecular Weight	164.20100
Flash Point	82.6ºC
Exact Mass	164.08400
PSA	34.14000
LogP	1.66690
Index of Refraction	1.515
InChIKey	NCCTVAJNFXYWTM-UHFFFAOYSA-N
SMILES	CC(C)(C)C1=CC(=O)C=CC1=O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DK3790000

CHEMICAL NAME :: p-Benzoquinone, 2-tert-butyl-

CAS REGISTRY NUMBER :: 3602-55-9

BEILSTEIN REFERENCE NO. :: 1860944

LAST UPDATED :: 199612

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C10-H12-O2

MOLECULAR WEIGHT :: 164.22

WISWESSER LINE NOTATION :: L6V DVJ BX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Cytogenetic analysis

TEST SYSTEM :: Rodent - hamster Lung

DOSE/DURATION :: 1500 ug/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 241,125,1990

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi: Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S36
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	DK3790000
HS Code	2914690090

Customs

HS Code	2914690090
Summary	2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles22

Reduction of cytotoxic p-quinone metabolites of tert-butylhydroquinone by human aldo-keto reductase (AKR) 1B10.

Drug Metab. Pharmacokinet. 27(5) , 553-8, (2012)

2-tert-Butylhydroquinone (BHQ), an antioxidant used as a food additive, exhibits an anticancer effect, whereas it is carcinogenic in rodents at high doses. BHQ is metabolized into cytotoxic tert-butyl...

Paradoxical cytotoxicity of tert-butylhydroquinone in vitro: What kills the untreated cells?

Arch. Toxicol. 86(9) , 1481-7, (2012)

At high concentrations, tert-butylhydroquinone (tBHQ), a phenolic antioxidant frequently used as a food preservative, exerts cytotoxic effects, which are closely linked to its ability to form reactive...

Irreversible inhibition of rat hepatic glutathione S-transferase isoenzymes by a series of structurally related quinones.

Chem. Biol. Interact. 71(4) , 381-92, (1989)

The effect of several structurally related 1,4-benzoquinones (BQ) and 1,4-naphthoquinones (NQ) on the activity of rat hepatic glutathione S-transferases (GST) was studied. For the 1,4-benzoquinones, t...

Synonyms

EINECS 222-757-8

2-tert-butylcyclohexa-2,5-diene-1,4-dione

MFCD00666928

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